N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide

C25H27N3O4S — CID 2106393

IUPACN-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(C(C)C)c(C)c4)[nH]c3c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-16(2)22-11-9-20(13-17(22)3)32-15-25-26-23-12-10-21(14-24(23)27-25)33(29,30)28-18-5-7-19(31-4)8-6-18/h5-14,16,28H,15H2,1-4H3,(H,26,27)
InChIKeyFNCLAHFUYSVMRO-UHFFFAOYSA-N
MW465.58 g/mol
LogP5.38
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide

N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 2106393) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
PubChem CID2106393
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(C(C)C)c(C)c4)[nH]c3c2)cc1
InChIInChI=1S/C25H27N3O4S/c1-16(2)22-11-9-20(13-17(22)3)32-15-25-26-23-12-10-21(14-24(23)27-25)33(29,30)28-18-5-7-19(31-4)8-6-18/h5-14,16,28H,15H2,1-4H3,(H,26,27)
InChIKeyFNCLAHFUYSVMRO-UHFFFAOYSA-N
XLogP5.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972147
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
propan-2-yl 4-[[2-(3,5-dimethoxyanilino)-3H-benzimidazol-5-yl]sulfonylamino]benzoate
CID 90216841
4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
CID 3691156
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 2072355
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358
N-[2-(4-methoxyanilino)-3-oxo-4H-quinoxalin-6-yl]-4-methylbenzenesulfonamide
CID 155805211
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 17138634

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide (CID 2106393) is N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(C(C)C)c(C)c4)[nH]c3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is FNCLAHFUYSVMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-16(2)22-11-9-20(13-17(22)3)32-15-25-26-23-12-10-21(14-24(23)27-25)33(29,30)28-18-5-7-19(31-4)8-6-18/h5-14,16,28H,15H2,1-4H3,(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide?
N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 465.58 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 2106393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).